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Chemical ID: 7655664
Chemical ID:
7655664
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)NC(=O)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C17H12F3N3OS/c1-10-5-7-11(8-6-10)15-22-23-16(25-15)21-14(24)12-3-2-4-13(9-12)17(18,19)20/h2-9H,1H3,(H,21,23,24)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,3,7,4,6,21,2,5,16,20,14,8,11,22,23,24,25,13,9,10,15,12/E:(5,6)(7,8)(18,19,20)/rA:25nCCCCCCCCNNCSNCOCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12F3N3OS |
All Atoms: | 37 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1179 |
Area: | 545.591 |
Solvation: | -3.52185 |
Coulombic: | -46.1165 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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